<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">99005</id>
  <title nil="true"/>
  <common-name>Pent-2-oxycyclohexan-1-ol</common-name>
  <description>Pent-2-oxycyclohexan-1-ol belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the formula C11H22O2 and an average molecular weight of 186.29 g/mol.</description>
  <cas>70092-43-2</cas>
  <pubchem-id>98026</pubchem-id>
  <chemical-formula>C11H22O2</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-04-05T06:35:44Z</created-at>
  <updated-at type="dateTime">2026-04-05T06:35:44Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCCCOC1CCCCC1O</moldb-smiles>
  <moldb-formula>C11H22O2</moldb-formula>
  <moldb-inchi>InChI=1/C11H22O2/c1-2-3-6-9-13-11-8-5-4-7-10(11)12/h10-12H,2-9H2,1H3</moldb-inchi>
  <moldb-inchikey>BSHPGCHSGNTBBX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">186.295</moldb-average-mass>
  <moldb-mono-mass type="decimal">186.1619799</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM094898</chemdb-id>
  <dsstox-id>DTXSID40990335</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00061691</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Alcohols and polyols</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0161061</sync-id>
  <structure-inchikey>BSHPGCHSGNTBBX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000800000000000000000000000000000000000000000000000000002000000000000000000000000000000000000000000000000000000080000000000000000010000000000000000000000000100000000000000000000000022010001000000400000000020000000020000000000000000000000100800400040000008000000000000000000000000000000000000002040400000000000000004000000000000000000000000000008004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000400010000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������������€���`�������`�������`�������`�������`������� ������`�������`�������`�������`�������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:38:30Z</structure-indexed-at>
</compound>
